Crystallography Open Database

Information card for entry 4108363

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Coordinates	4108363.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H60 Cl2 N2 P Ru
Calculated formula	C39 H60 Cl2 N2 P Ru
Title of publication	Cyclic Ruthenium-Alkylidene Catalysts for Ring-Expansion Metathesis Polymerization
Authors of publication	Andrew J. Boydston; Yan Xia; Julia A. Kornfield; Irina A. Gorodetskaya; Robert H. Grubbs
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	12775 - 12782
a	17.2664 ± 0.0015 Å
b	11.8916 ± 0.0011 Å
c	19.2386 ± 0.0017 Å
α	90°
β	107.393 ± 0.002°
γ	90°
Cell volume	3769.6 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0489
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for significantly intense reflections	0.0717
Weighted residual factors for all reflections included in the refinement	0.0754
Goodness-of-fit parameter for all reflections included in the refinement	1.676
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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